Compound Detail
CHEMBL4557266
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Basic Information
| ChEMBL ID | CHEMBL4557266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVORQYVVJUWAF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.06
ALogP
7
HBA
1
HBD
102.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 4.42 | 4.41 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 38000.0 | nM | 4.42 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 39810.72 | nM | 4.4 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Giardia intestinalis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Entamoeba histolytica | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HEK293 | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine